0  B5R1.1  N1C=CN=C1 HMDB0001525 [0,0,0,0,0,0|1,0,0]=1
1  B6R1.2  CC1=CNN=C1 HMDB0015344 [0,1,0,0,0,0|1,0,0]=2
2  B4R0.2  C/C=C\C=O HMDB0034233 [0,0,1,0,0,0|1,0,1]=3
3  B3R0.1  C=CC=O HMDB0041822 [1,0,1,0,0,0|1,0,0]=3
4  B7R1.1  OCC1=CNN=C1 HMDB0060768 [0,2,0,0,0,0|1,0,0]=3
5  B7R1.4  CN1C=CNC1=S HMDB0014901 [0,2,0,0,0,0|1,0,0]=3